REMARK  Name = BDB024591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.267  -0.901   0.897  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.399   0.204   0.930  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.926   1.439   1.549  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.991   2.103   0.660  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.865   2.499   1.886  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.593   1.845   2.379  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.091   0.958   1.277  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.724   0.884   0.939  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.334   1.560   1.489  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.407   1.170   0.830  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.076   0.221  -0.124  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.295   0.046  -0.083  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.191  -0.735  -0.818  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.547  -0.663  -0.470  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.010   0.148   0.574  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.456  -0.839   1.204  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        5.538  -3.215   0.590  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        4.670  -2.081   0.563  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -2.016  -0.460  -1.022  0.00  0.00    +0.090 C 
ATOM     20  C   LIG    1       -1.774  -0.029  -2.474  0.00  0.00    +0.031 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -2.054  -2.004  -0.813  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1       -3.076  -2.678  -1.750  0.00  0.00    +0.086 C 
ATOM     23  N   LIG    1       -3.170  -4.123  -1.538  0.00  0.00    -0.316 NA
ATOM     24  H   LIG    1       -2.264  -4.552  -1.735  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -3.552  -4.436  -0.162  0.00  0.00    +0.081 C 
ATOM     26  C   LIG    1       -2.550  -3.866   0.834  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -2.386  -2.360   0.652  0.00  0.00    +0.008 C 
ENDBRANCH  19  21
ENDBRANCH  11  19
BRANCH  10  28
ATOM     28  C   LIG    1       -2.789   1.695   1.091  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.334   2.576  -0.014  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -2.580   3.646  -0.519  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.090   4.458  -1.533  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.364   4.220  -2.043  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.131   3.173  -1.538  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.622   2.358  -0.524  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 5